Density functional theory study on the Ti3CN and Ti3CNT2 (T = O, S and F) as high capacity anode material for Na ion batteries
Weibing Guo, Zongyu She, Haitao Xue, Xiaoming Zhang
Topics & Concepts
AnodeDensity functional theoryAdsorptionMonolayerDiffusionIonMXenesDiffusion barrierMaterials scienceBattery (electricity)Analytical Chemistry (journal)ChemistryChemical engineeringPhysical chemistryNanotechnologyThermodynamicsComputational chemistryLayer (electronics)ElectrodeChromatographyPhysicsOrganic chemistryEngineeringPower (physics)MXene and MAX Phase Materials2D Materials and ApplicationsFerroelectric and Negative Capacitance Devices